SCHEMBL7307197

SCHEMBL7307197

CCNC(=O)NC1=Nc2cc(OCCC(C(N)=O)N3CCCc4ccccc43)ccc2CN1CC(=O)OCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7310878 0.92 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307657 0.92 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310780 0.87 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307192 0.80 PDE4A (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310209 0.80 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7316975 0.78 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311511 0.77 ALDH1A1 (0.35) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7314035 0.75 LMNA (0.35) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7317733 0.75 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7311535 0.75 MAPT (0.37) PDE4APDE4BPDE4CPDE4DMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed